Match comparison for Energy [step 125] (match type 26976)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.747161078452190e+00 | 9.890000000000000e-11 | -3.772406714241259e+00 | 8.925680124030853e-02 | -3.917569119895037e+00 | 1.704080414996938e-01 | FAIL |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -3.7471610784521903, precision: 0.0000000000989| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.747161078480720e+00 | -2.852962310839757e-11 | -2.884693944226246e-01 | PASS |
| foss-2022a_ppc | -3.747161078457583e+00 | -5.392575275209310e-12 | -5.452553362193438e-02 | PASS |
| spack_foss-2022a_serial_min | -3.747161078480720e+00 | -2.852962310839757e-11 | -2.884693944226246e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.747161078480720e+00 | -2.852962310839757e-11 | -2.884693944226246e-01 | PASS |
| spack_foss-2022a_serial | -3.747161078480720e+00 | -2.852962310839757e-11 | -2.884693944226246e-01 | PASS |
| foss-2022a_opt | -3.747161078504502e+00 | -5.231148847428813e-11 | -5.289331493861287e-01 | PASS |
| intel-2022b | -3.747161078454635e+00 | -2.444711100224595e-12 | -2.471902022471784e-02 | PASS |
| intel-2022a | -3.747161078454635e+00 | -2.444711100224595e-12 | -2.471902022471784e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.747161078499689e+00 | -4.749844961793315e-11 | -4.802674379973018e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.747161078464583e+00 | -1.239319757928570e-11 | -1.253103900837785e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.747161078480720e+00 | -2.852962310839757e-11 | -2.884693944226246e-01 | PASS |
| foss-2022a_omp | -3.747161078395343e+00 | 5.684697157448682e-11 | 5.747924325023945e-01 | PASS |
| eb_fosscuda-2022a | -4.087977161328206e+00 | -3.408160828760161e-01 | -3.446067572052741e+09 | FAIL |
| intel-2022a_omp | -3.747161078453585e+00 | -1.394440118929197e-12 | -1.409949564134678e-02 | PASS |
| intel-2022b_impi | -3.747161078453101e+00 | -9.108269694024784e-13 | -9.209575019236384e-03 | PASS |
| intel-2022a_impi | -3.747161078453101e+00 | -9.108269694024784e-13 | -9.209575019236384e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | -4.087977161394731e+00 | -3.408160829425406e-01 | -3.446067572725385e+09 | FAIL |
| cmake_foss_2022a_min_serial | -3.747161078480720e+00 | -2.852962310839757e-11 | -2.884693944226246e-01 | PASS |
| foss-2022a_mpi_omp | -3.747161078457510e+00 | -5.319300555584050e-12 | -5.378463655797826e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.747161078499689e+00 | -4.749844961793315e-11 | -4.802674379973018e-01 | PASS |
| eb_foss-2022a | -3.747161078504502e+00 | -5.231148847428813e-11 | -5.289331493861287e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.747161078439871e+00 | 1.231903468124074e-11 | 1.245605124493502e-01 | PASS |
| eb_foss-2022a_debug | -3.747161078504502e+00 | -5.231148847428813e-11 | -5.289331493861287e-01 | PASS |
| intel-2022a_omp_impi | -3.747161078442788e+00 | 9.402700840155376e-12 | 9.507280930389662e-02 | PASS |
| eb_foss-2022a_mpi | -3.747161078447998e+00 | 4.192202140984591e-12 | 4.238829262876229e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.747161078571111e+00 | -1.189204290596990e-10 | -1.202431031948423e+00 | FAIL |
| eb_foss-2022a_mpi_debug | -3.747161078447998e+00 | 4.192202140984591e-12 | 4.238829262876229e-02 | PASS |